4-methoxy-N-[[5-(methoxymethyl)-1H-benzimidazol-4-yl]methyl]-3,5-dimethylbenzamide

C20H23N3O3 — CID 154995807

IUPAC4-methoxy-N-[[5-(methoxymethyl)-1H-benzimidazol-4-yl]methyl]-3,5-dimethylbenzamide
SMILESCOCc1ccc2[nH]cnc2c1CNC(=O)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C20H23N3O3/c1-12-7-15(8-13(2)19(12)26-4)20(24)21-9-16-14(10-25-3)5-6-17-18(16)23-11-22-17/h5-8,11H,9-10H2,1-4H3,(H,21,24)(H,22,23)
InChIKeySGHBKROXRQCLHP-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.26
Rot. Bonds6

About 4-methoxy-N-[[5-(methoxymethyl)-1H-benzimidazol-4-yl]methyl]-3,5-dimethylbenzamide

4-methoxy-N-[[5-(methoxymethyl)-1H-benzimidazol-4-yl]methyl]-3,5-dimethylbenzamide (PubChem CID 154995807) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-methoxy-N-[[5-(methoxymethyl)-1H-benzimidazol-4-yl]methyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[[5-(methoxymethyl)-1H-benzimidazol-4-yl]methyl]-3,5-dimethylbenzamide
PubChem CID154995807
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-methoxy-N-[[5-(methoxymethyl)-1H-benzimidazol-4-yl]methyl]-3,5-dimethylbenzamide
SMILESCOCc1ccc2[nH]cnc2c1CNC(=O)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C20H23N3O3/c1-12-7-15(8-13(2)19(12)26-4)20(24)21-9-16-14(10-25-3)5-6-17-18(16)23-11-22-17/h5-8,11H,9-10H2,1-4H3,(H,21,24)(H,22,23)
InChIKeySGHBKROXRQCLHP-UHFFFAOYSA-N
XLogP3.26
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[5-(methoxymethyl)-1H-benzimidazol-4-yl]methyl]-3,5-dimethylbenzamide?
The IUPAC name of 4-methoxy-N-[[5-(methoxymethyl)-1H-benzimidazol-4-yl]methyl]-3,5-dimethylbenzamide (CID 154995807) is 4-methoxy-N-[[5-(methoxymethyl)-1H-benzimidazol-4-yl]methyl]-3,5-dimethylbenzamide.
What is the SMILES notation for 4-methoxy-N-[[5-(methoxymethyl)-1H-benzimidazol-4-yl]methyl]-3,5-dimethylbenzamide?
The canonical SMILES for 4-methoxy-N-[[5-(methoxymethyl)-1H-benzimidazol-4-yl]methyl]-3,5-dimethylbenzamide is COCc1ccc2[nH]cnc2c1CNC(=O)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of 4-methoxy-N-[[5-(methoxymethyl)-1H-benzimidazol-4-yl]methyl]-3,5-dimethylbenzamide?
The InChIKey is SGHBKROXRQCLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-7-15(8-13(2)19(12)26-4)20(24)21-9-16-14(10-25-3)5-6-17-18(16)23-11-22-17/h5-8,11H,9-10H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 4-methoxy-N-[[5-(methoxymethyl)-1H-benzimidazol-4-yl]methyl]-3,5-dimethylbenzamide?
4-methoxy-N-[[5-(methoxymethyl)-1H-benzimidazol-4-yl]methyl]-3,5-dimethylbenzamide has a molecular weight of 353.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[5-(methoxymethyl)-1H-benzimidazol-4-yl]methyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 154995807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).